Molecule card · MolClass #49719
24784709
24784709: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24784709Mitochondrial Fusion · compound_name
- MolClass ID
- 49719
- InChIKey
- AXTQBBDRNAYVKG-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C=3CC(c2ccccc2(O))N(N=3)C(=O)c4cccs4
- Standard InChI
- InChI=1S/C21H18N2O3S/c1-26-15-10-8-14(9-11-15)17-13-18(16-5-2-3-6-19(16)24)23(22-17)21(25)20-7-4-12-27-20/h2-12,18,24H,13H2,1H3
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC(c3ccccc3)N1[CH]c4sccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.073
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24784709